N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-1-ethyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-1-ethyl-1H-pyrazole-3-carboxamide
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-1-ethyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | S639-0445 |
| Compound Name: | N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-1-ethyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 355.48 |
| Molecular Formula: | C20 H29 N5 O |
| Smiles: | CCn1ccc(C(N[C@@H]2CN(Cc3ccccc3)C[C@H]2CN(C)C)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.139 |
| logD: | -0.9276 |
| logSw: | -1.9067 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.813 |
| InChI Key: | WMWDESDSGDVXOL-HKUYNNGSSA-N |